Vitas-M small molecule compound

3-({2-methoxy-4-[(E)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenoxy}methyl)benzoic acid

Catalog ID
STK029572
SMILES COc1cc(ccc1OCc1cccc(c1)C(=O)O)/C=c\1/sc2n(c1=O)c1c(n2)cccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C25H18N2O5S MW 458.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O5S/c1-31-21-12-15(9-10-20(21)32-14-16-5-4-6-17(11-16)24(29)30)13-22-23(28)27-19-8-3-2-7-18(19)26-25(27)33-22/h2-13H,14H2,1H3,(H,29,30)/b22-13+
InChIKey
BUVUFYVWOLYCIR-LPYMAVHISA-N
Synonyms
366821-36-5
(E)3((2methoxy4((3oxobenzo(45)imidazo(21b)thiazol2(3H)ylidene)methyl)phenoxy)methyl)benzoicacid
3((2METHOXY4((E)(1OXO(13)THIAZOLO(32A)BENZIMIDAZOL2YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((2METHOXY4((E)(3OXO(13)THIAZOLO(32A)BENZIMIDAZOL2(3H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
COC1=C(C=CC(=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)OCC5=CC=CC(=C5)C(=O)O
COc1cc(ccc1OCc1cccc(c1)C(=O)O)C=c1sc2n(c1=O)c1c(n2)cccc1
Registry IDs
MFCD02624533
ZINC000001897366
ZINC1897366

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Available files

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